(E)-4-(4-bromophenyl)-3-phenyl-N-pyridin-2-yl-1,3-thiazol-2-imine
Formula:C20H14N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-bromophenyl)-3-phenyl-N-pyridin-2-yl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (E)-4-(4-bromophenyl)-3-phenyl-N-pyridin-2-yl-1,3-thiazol-2-imine |
| MolecularFormula | C20H14N3BrS |
| Smiles | Brc(cc1)ccc1C(N1c2ccccc2)=CS/C1=N/c1ncccc1 |
| InChI | InChI=1S/C20H14BrN3S/c21-16-11-9-15(10-12-16)18-14-25-20(23-19-8-4-5-13-22-19)24(18)17-6-2-1-3-7-17/h1-14H |
| InChIK | BVVVYOMZJNFEHM-UHFFFAOYSA-N |
| TotalMolweight | 408.322 |
| Molweight | 408.322 |
| MonoisotopicMass | 407.009178 |
| CLogP | 5.2769 |
| CLogS | -6.086 |
| H Acceptors | 3 |
| TotalSurfaceArea | 272.14 |
| Relative PSA | 0.15992 |
| PolarSurfaceArea | 53.79 |
| Druglikeness | -0.32899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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